Abstract
The implementation of Free-energy simulation methods, towards the calculation of cluster integrals was discussed. The character of a molecular simulation have a two key idea in application to cluster integrals. The first one generate the molecule configurations using Metropolis Monte Carlo (MC) and the aim of second one is to evaluate the ratio of the desired cluster integral to a known reference integral. It was observed that the present work focused on the evaluation of cluster integrals needed to calculate virial coefficients from a molecular model.
| Original language | English |
|---|---|
| Article number | 220601 |
| Pages (from-to) | 220601-1-220601-4 |
| Journal | Physical Review Letters |
| Volume | 92 |
| Issue number | 22 |
| DOIs | |
| State | Published - Jul 4 2004 |
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